cyclohexyl 3-trifluorosilylpropanoate

C9H15F3O2Si — CID 174136080

IUPACcyclohexyl 3-trifluorosilylpropanoate
SMILESO=C(CC[Si](F)(F)F)OC1CCCCC1
InChIInChI=1S/C9H15F3O2Si/c10-15(11,12)7-6-9(13)14-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyYNVBTFZUFDGELD-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.10
Rot. Bonds4

About cyclohexyl 3-trifluorosilylpropanoate

cyclohexyl 3-trifluorosilylpropanoate (PubChem CID 174136080) has the molecular formula C9H15F3O2Si and a molecular weight of 240.30 g/mol. Its IUPAC name is cyclohexyl 3-trifluorosilylpropanoate.

Molecular Properties

Compound Namecyclohexyl 3-trifluorosilylpropanoate
PubChem CID174136080
Molecular FormulaC9H15F3O2Si
Molecular Weight240.30 g/mol
Exact Mass240.08
IUPAC Namecyclohexyl 3-trifluorosilylpropanoate
SMILESO=C(CC[Si](F)(F)F)OC1CCCCC1
InChIInChI=1S/C9H15F3O2Si/c10-15(11,12)7-6-9(13)14-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyYNVBTFZUFDGELD-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-trifluorosilylpropanoate?
The IUPAC name of cyclohexyl 3-trifluorosilylpropanoate (CID 174136080) is cyclohexyl 3-trifluorosilylpropanoate.
What is the SMILES notation for cyclohexyl 3-trifluorosilylpropanoate?
The canonical SMILES for cyclohexyl 3-trifluorosilylpropanoate is O=C(CC[Si](F)(F)F)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-trifluorosilylpropanoate?
The InChIKey is YNVBTFZUFDGELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2Si/c10-15(11,12)7-6-9(13)14-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of cyclohexyl 3-trifluorosilylpropanoate?
cyclohexyl 3-trifluorosilylpropanoate has a molecular weight of 240.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-trifluorosilylpropanoate is sourced from PubChem (CID 174136080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).